2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C16H17N5O2S2 — CID 7151061

IUPAC2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(Cn2ccnc2SCC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C16H17N5O2S2/c1-11-19-20-15(25-11)18-14(22)10-24-16-17-7-8-21(16)9-12-3-5-13(23-2)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,20,22)
InChIKeyBYKAAWUXQYQNQD-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.83
Rot. Bonds7

About 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 7151061) has the molecular formula C16H17N5O2S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID7151061
Molecular FormulaC16H17N5O2S2
Molecular Weight375.48 g/mol
Exact Mass375.08
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(Cn2ccnc2SCC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C16H17N5O2S2/c1-11-19-20-15(25-11)18-14(22)10-24-16-17-7-8-21(16)9-12-3-5-13(23-2)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,20,22)
InChIKeyBYKAAWUXQYQNQD-UHFFFAOYSA-N
XLogP2.83
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide
CID 7151044
N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 11624646
2-(4-methoxyphenyl)-N-[(4-methyl-5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 1797286
2-{[4-benzyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N-1,3-thiazol-2-ylpropanamide
CID 2961150
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3236772
N-Benzyl-2-({1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151046
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[5-(4-methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 646594
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((1-(4-methoxyphenyl)-1H-imidazol-2-yl)thio)acetamide
CID 4340063
2-{[1-(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4446321
2-({5-[3-(4-methoxy-3-methylphenyl)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)-N-1,3-thiazol-2-ylacetamide
CID 1092731
2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 1797285
2-((1-(4-ethoxyphenyl)-1H-imidazol-2-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3237485

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 7151061) is 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is COc1ccc(Cn2ccnc2SCC(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is BYKAAWUXQYQNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S2/c1-11-19-20-15(25-11)18-14(22)10-24-16-17-7-8-21(16)9-12-3-5-13(23-2)6-4-12/h3-8H,9-10H2,1-2H3,(H,18,20,22).
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 375.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 7151061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).